[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C26H28N2O4 MolecularWeight: 432.51152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4CCCCCC4

InChI

InChI=1S/C26H28N2O4/c1-31-20-14-12-18(13-15-20)24-16-22(21-10-6-7-11-23(21)28-24)26(30)32-17-25(29)27-19-8-4-2-3-5-9-19/h6-7,10-16,19H,2-5,8-9,17H2,1H3,(H,27,29)